Molecular Informatical Breakthrough on the Water Molecule Network Controlled by Biomacromolecules and Cosolvents

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In the cells of organisms living in the extreme environments, organic cosolvents, such as amino acids or sugars, are accumulated in high concentrations. This study aims to understand the influence of cosolvent additions on the property of water molecules and on the function of biomacromolecules. Using the molecular dynamic simulation combined with the statistical mechanical theory of liquid, some of the microscopic mechanisms of cosolvent protecting the protein structure against the high temperature were elucidated.